AMBER Archive (2009)

Subject: [AMBER] (no subject)

From: david.lisgarten_at_canterbury.ac.uk
Date: Tue Jun 09 2009 - 05:23:57 CDT

Dear Ross Walker,

We are new users to Amber 10. We are trying to work through tutorial on
sustiva.

We tried running the following command:

$AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb -o sustiva.mol2 -fo
mol2 -c bcc -s 2

and the result was:

Running: /usr/share/amber10/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac

Running: /usr/share/amber10/bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 160; net charge: 0
Running: /usr/share/amber10/bin/mopac.sh
/usr/share/amber10/bin/mopac.sh: line 12: /usr/share/amber10/bin/mopac:
No such file or directory
mv: cannot stat `FOR006': No such file or directory
Cannot open mopac output file: mopac.out in rmopacharge(), exit

We failed to get the whole series of files as indicated.

Would would be grateful if you could help.

Many Thanks,

David Lisgarten, david.lisgarten_at_canterbury.ac.uk
Joanna Fell.
Rex Palmer.

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber